U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C25H24FN3O2
Molecular Weight 417.4754
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-((4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)-1-PIPERIDINYL)METHYL)-1,2,3,9-TETRAHYDRO-4H-CARBAZOL-4-ONE

SMILES

FC1=CC2=C(C=C1)C(=NO2)C3CCN(CC4CC5=C(C6=C(N5)C=CC=C6)C(=O)C4)CC3

InChI

InChIKey=SPBXLWNNWOLJEO-UHFFFAOYSA-N
InChI=1S/C25H24FN3O2/c26-17-5-6-19-23(13-17)31-28-25(19)16-7-9-29(10-8-16)14-15-11-21-24(22(30)12-15)18-3-1-2-4-20(18)27-21/h1-6,13,15-16,27H,7-12,14H2

HIDE SMILES / InChI

Molecular Formula C25H24FN3O2
Molecular Weight 417.4754
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:16:29 GMT 2023
Edited
by admin
on Sat Dec 16 08:16:29 GMT 2023
Record UNII
HB82HZF849
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-((4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)-1-PIPERIDINYL)METHYL)-1,2,3,9-TETRAHYDRO-4H-CARBAZOL-4-ONE
Systematic Name English
QF-2004B
Code English
4H-CARBAZOL-4-ONE, 2-((4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)-1-PIPERIDINYL)METHYL)-1,2,3,9-TETRAHYDRO-
Systematic Name English
QF2004B
Code English
Code System Code Type Description
CAS
221332-70-3
Created by admin on Sat Dec 16 08:16:29 GMT 2023 , Edited by admin on Sat Dec 16 08:16:29 GMT 2023
PRIMARY
FDA UNII
HB82HZF849
Created by admin on Sat Dec 16 08:16:29 GMT 2023 , Edited by admin on Sat Dec 16 08:16:29 GMT 2023
PRIMARY
PUBCHEM
9866660
Created by admin on Sat Dec 16 08:16:29 GMT 2023 , Edited by admin on Sat Dec 16 08:16:29 GMT 2023
PRIMARY